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D-Gluconimidic acid, N,N'-[(chlorophosphinylidene)bis(oxy)]bis-, di-.delta.-lactone, 2,2',3,3',4,4',6,6'-octaacetate
SpectraBase Compound ID 2MqxX2hkNdJ
InChI InChI=1S/C28H36ClN2O21P/c1-11(32)41-9-19-21(43-13(3)34)23(45-15(5)36)25(47-17(7)38)27(49-19)30-51-53(29,40)52-31-28-26(48-18(8)39)24(46-16(6)37)22(44-14(4)35)20(50-28)10-42-12(2)33/h19-26H,9-10H2,1-8H3/b30-27-,31-28-/t19-,20-,21-,22-,23+,24+,25-,26-/m1/s1
InChIKey JTXWEOZENKQLTB-ZNYQPOJVSA-N
Mol Weight 803.0 g/mol
Molecular Formula C28H36ClN2O21P
Exact Mass 802.123671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77tMDoI9A7g
Name D-Gluconimidic acid, N,N'-[(chlorophosphinylidene)bis(oxy)]bis-, di-.delta.-lactone, 2,2',3,3',4,4',6,6'-octaacetate
CAS Registry Number 103955-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36ClN2O21P
InChI InChI=1S/C28H36ClN2O21P/c1-11(32)41-9-19-21(43-13(3)34)23(45-15(5)36)25(47-17(7)38)27(49-19)30-51-53(29,40)52-31-28-26(48-18(8)39)24(46-16(6)37)22(44-14(4)35)20(50-28)10-42-12(2)33/h19-26H,9-10H2,1-8H3/b30-27-,31-28-/t19-,20-,21-,22-,23+,24+,25-,26-/m1/s1
InChIKey JTXWEOZENKQLTB-ZNYQPOJVSA-N
Molecular Weight 803.016 g/mol
SMILES [C@@]1(\C(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])=N\OP(O\N=C\1[C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(=O)Cl)(OC(=O)C)[H]
SPLASH splash10-03di-9400000000-a18045b01eff8c042dc3
Source of Spectrum H-68-2272-44
Synonyms Bis[(2,3,4,6-tetra-O-acetyl-D-glucopyranosylidene)amino]phosphochloridate [(2R,3R,4S,5R,6Z)-3,4,5-tris(acetyloxy)-6-({[chloro({[(2Z,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-ylidene]amino}oxy)phosphoryl]oxy}imino)oxan-2-yl]methyl acetate
Wiley ID 1417190